Improve support for jobs with History about tcutility HOT 2 CLOSED

Check the plams implementations:

energy landscape
history property
[history variables]
(https://www.scm.com/doc/plams/interfaces/ams.html#scm.plams.interfaces.adfsuite.ams.AMSResults.get_history_variables)

If your implementations achieve the same thing, I wonder if it is necessary to implement it in tcutility

from tcutility.

I prefer to avoid the plams.Results objects as they require loading the job using plams, which in turn requires (I think) the job to be saved as a .dill file. It also requires initializing plams as it requires a jobmanager object. Everytime you initialize plams it will also create a directory for you, so we have to keep track of it and then delete it later. This will basically require us to wrap the whole program in a try/except block, otherwise we might not be able to delete it if the program crashes. Also, we will then have a TCutility result and plams result object, which again requires a lot more bookkeeping for us and loads everything twice.

In any case, we already have support for History variables that is easy to use (see this postscript). But we might implement some plotting functions/drawing of molecules etc. For now I will close this until we want to work on something more specific related to the history variables.

from tcutility.